SCHEMBL620874

SCHEMBL620874

COc1ccc(O)c(C[NH])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
MCL1 Q07820 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
LMNA P02545 1/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
ERN1 O75460 1/20 0.47
POLB P06746 1/20 0.45
IDO1 P14902 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL639119 0.84 POLB (0.57) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL51653 0.83 GAA (0.53) GAAKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL29068281 0.82 GAA (0.58) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL805304 0.82 MTNR1A (0.55) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL1638977 0.82 GAA (0.52) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL620875 0.80 GAA (0.55) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL22284793 0.80 GAA (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL21248098 0.80 ALDH1A1 (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL16864025 0.80 GAA (0.50) GAAKDM4EMEN1ALDH1A1MAPT
SCHEMBL8959159 0.80 GAA (0.50) GAAKDM4EMEN1ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575973-B1 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) 2017-08-23 EP disclosed
EP-2438068-B1 SUBSTITUTED 6-(2-HYDROXYBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2017-03-01 EP disclosed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 US disclosed
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 EP disclosed
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
EP-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 EP disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
EP-2563801-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2013-03-06 EP disclosed
US-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS BIOAPEX, S.R.O. (CZ) 2013-02-14 US disclosed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
US-8119614-B2 Substitution derivatives of N6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-02-21 US disclosed
WO-2011134444-A9 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-02-16 WO disclosed
WO-2011134444-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-03 WO disclosed
EP-1475094-B1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use USTAV EX BOTAN AKADEMIE VED CE (CZ) 2010-07-28 EP disclosed
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2007-07-19 US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 US disclosed
EP-1475094-A1 Pyrazolo[4,3-D]pyrimidines, process for their preparation and methods of use Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-11-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP GAA 1544/4885KDM4E 3704/4885MEN1 4741/4885
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ADAR, ADORA2A, AMPD2 GAA 847/4885KDM4E 292/4885MEN1 1844/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP GAA 1445/4885KDM4E 3456/4885MEN1 4668/4885
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives CDK6, CCNI, CDK2 GAA 2154/4885KDM4E 1275/4885MEN1 4355/4885
US-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS MTAP, RNMT, NUDT1 GAA 997/4885KDM4E 2276/4885MEN1 1770/4885
US-20070167466-A1 \"Pyrazolo [4,3-d]pyrimidines, processes for their preparation and methods of use\ CBR3, PYM1, PNPO GAA 4458/4885KDM4E 2102/4885MEN1 4350/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.